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[4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] benzoate

Systemtic Name:	[4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] benzoate
Openeye Name:	[4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] benzoate
CAS Name:	benzoic acid [4,6-dimethyl-2-(1-phenylhexylamino)-5-pyrimidinyl] ester
IUPAC Name:	[4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] benzoate
Traditional Name:	benzoic acid [4,6-dimethyl-2-(1-phenylhexylamino)pyrimidin-5-yl] ester
Formula:	C₂₅H₂₉N₃O₂
MolecularWeight:	403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC=C1)NC2=NC(=C(C(=N2)C)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCC(C1=CC=CC=C1)NC2=NC(=C(C(=N2)C)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H29N3O2/c1-4-5-8-17-22(20-13-9-6-10-14-20)28-25-26-18(2)23(19(3)27-25)30-24(29)21-15-11-7-12-16-21/h6-7,9-16,22H,4-5,8,17H2,1-3H3,(H,26,27,28)

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